2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide

C16H15F17N2O2 — CID 58855463

IUPAC2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H15F17N2O2/c17-9(18,7-10(19,20)13(25,26)15(29,30)16(31,32)33)12(23,24)14(27,28)11(21,22)8(36)34-1-2-35-3-5-37-6-4-35/h1-7H2,(H,34,36)
InChIKeyCDCLSGDPPPJSNA-UHFFFAOYSA-N
MW590.27 g/mol
LogP4.83
Rot. Bonds11

About 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide

2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide (PubChem CID 58855463) has the molecular formula C16H15F17N2O2 and a molecular weight of 590.27 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
PubChem CID58855463
Molecular FormulaC16H15F17N2O2
Molecular Weight590.27 g/mol
Exact Mass590.09
IUPAC Name2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H15F17N2O2/c17-9(18,7-10(19,20)13(25,26)15(29,30)16(31,32)33)12(23,24)14(27,28)11(21,22)8(36)34-1-2-35-3-5-37-6-4-35/h1-7H2,(H,34,36)
InChIKeyCDCLSGDPPPJSNA-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855436
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide
CID 4149699
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 114174018
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
3,3,3-trifluoro-2-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)propanoic acid
CID 79791519
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide
CID 4589976
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide (CID 58855463) is 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide is O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide?
The InChIKey is CDCLSGDPPPJSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F17N2O2/c17-9(18,7-10(19,20)13(25,26)15(29,30)16(31,32)33)12(23,24)14(27,28)11(21,22)8(36)34-1-2-35-3-5-37-6-4-35/h1-7H2,(H,34,36).
What are the key properties of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide?
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide has a molecular weight of 590.27 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide is sourced from PubChem (CID 58855463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).